[3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl phenyl hydrogen phosphate

Systemtic Name: [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl phenyl hydrogen phosphate Openeye Name: [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl phenyl hydrogen phosphate CAS Name: [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl phenyl hydrogen phosphate IUPAC Name: [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl phenyl hydrogen phosphate Traditional Name: (3-adenin-9-yl-2-methylol-cyclobutyl)methyl phenyl hydrogen phosphate Formula: C17H20N5O5P MolecularWeight: 405.344961

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1N2C=NC3=C2N=CN=C3N)CO)COP(=O)(O)OC4=CC=CC=C4

Isomeric SMILES

C1C(C(C1N2C=NC3=C2N=CN=C3N)CO)COP(=O)(O)OC4=CC=CC=C4

InChI

InChI=1S/C17H20N5O5P/c18-16-15-17(20-9-19-16)22(10-21-15)14-6-11(13(14)7-23)8-26-28(24,25)27-12-4-2-1-3-5-12/h1-5,9-11,13-14,23H,6-8H2,(H,24,25)(H2,18,19,20)